N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide

C12H15NO3 — CID 86086476

IUPACN-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide
SMILESCN(CCO)C(=O)C1OC1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-13(7-8-14)12(15)11-10(16-11)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3
InChIKeyZEEPLDYBBBNRAM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.58
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide

N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide (PubChem CID 86086476) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide
PubChem CID86086476
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide
SMILESCN(CCO)C(=O)C1OC1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-13(7-8-14)12(15)11-10(16-11)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3
InChIKeyZEEPLDYBBBNRAM-UHFFFAOYSA-N
XLogP0.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-2-hydroxy-2-phenylacetamide
CID 121583
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
CID 131753145
2-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
(2R,3S)-N-Methyl-3-phenyl-N-[(Z)-2-phenylvinyl]-2-oxiranecarboxamide
CID 6442212
(2S,3R)-N-Methyl-3-phenyl-N-((1Z)-2-phenylethenyl)-2-oxiranecarboxamide
CID 10492939
Oxiranecarboxamide, 3-phenyl-, (2R,3S)-rel-
CID 10931765
N,N-dimethyl-3-phenyloxirane-2-carboxamide
CID 14288125
(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide
CID 162891560
(2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide
CID 162936925
(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide
CID 10979333

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide (CID 86086476) is N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide is CN(CCO)C(=O)C1OC1c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide?
The InChIKey is ZEEPLDYBBBNRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13(7-8-14)12(15)11-10(16-11)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide?
N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 86086476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).